(3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile

C19H18N2O — CID 10851061

IUPAC(3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile
SMILESCc1ccc([C@]2(O)C[C@H](c3ccccc3)C(C#N)=C2N)cc1
InChIInChI=1S/C19H18N2O/c1-13-7-9-15(10-8-13)19(22)11-16(17(12-20)18(19)21)14-5-3-2-4-6-14/h2-10,16,22H,11,21H2,1H3/t16-,19-/m1/s1
InChIKeyHSMBUNACHZLRPU-VQIMIIECSA-N
MW290.37 g/mol
LogP3.11
Rot. Bonds2

About (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile

(3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile (PubChem CID 10851061) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile.

Molecular Properties

Compound Name(3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile
PubChem CID10851061
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile
SMILESCc1ccc([C@]2(O)C[C@H](c3ccccc3)C(C#N)=C2N)cc1
InChIInChI=1S/C19H18N2O/c1-13-7-9-15(10-8-13)19(22)11-16(17(12-20)18(19)21)14-5-3-2-4-6-14/h2-10,16,22H,11,21H2,1H3/t16-,19-/m1/s1
InChIKeyHSMBUNACHZLRPU-VQIMIIECSA-N
XLogP3.11
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile?
The IUPAC name of (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile (CID 10851061) is (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile.
What is the SMILES notation for (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile?
The canonical SMILES for (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile is Cc1ccc([C@]2(O)C[C@H](c3ccccc3)C(C#N)=C2N)cc1.
What is the InChIKey of (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile?
The InChIKey is HSMBUNACHZLRPU-VQIMIIECSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-7-9-15(10-8-13)19(22)11-16(17(12-20)18(19)21)14-5-3-2-4-6-14/h2-10,16,22H,11,21H2,1H3/t16-,19-/m1/s1.
What are the key properties of (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile?
(3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile is sourced from PubChem (CID 10851061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).